| Entry |
|
|---|
| Name |
Pruvanserin hydrochloride (USAN) |
|---|
| Formula |
C22H21FN4O. HCl
|
|---|
| Exact mass |
412.1466
|
|---|
| Mol weight |
412.89
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant, Antipsychotic, Serotonin receptor antagonist |
|---|
| Comment |
Insomnia, major depression, and schizophrenia
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2A
D06633 Pruvanserin hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 25.6523 -18.6862
2 C8x C 25.6523 -20.0900
3 C8x C 26.8680 -20.7919
4 C8y C 28.0837 -20.0900
5 C8y C 28.0837 -18.6862
6 C8y C 26.8680 -17.9843
7 C8y C 29.4188 -20.5238
8 C8x C 30.2440 -19.3881
9 N4x N 29.4188 -18.2525
10 C3b C 29.8511 -21.8542
11 C5a C 26.8680 -16.5807
12 O5a O 25.6354 -15.8689
13 N1y N 28.0668 -15.8885
14 C1x C 29.2572 -16.5757
15 C1x C 30.4729 -15.8739
16 N1y N 30.4730 -14.4701
17 C1x C 29.2826 -13.7828
18 C1x C 28.0669 -14.4847
19 C1b C 31.7032 -13.7596
20 C1b C 32.9137 -14.4583
21 C8y C 34.0983 -13.7743
22 C8x C 35.2959 -14.4658
23 C8x C 36.5117 -13.7639
24 C8y C 36.5117 -12.3601
25 C8x C 35.3141 -11.6687
26 C8x C 34.0983 -12.3705
27 X F 37.7383 -11.6518
28 N3a N 30.2145 -23.2102
29 X Cl 34.3000 -18.2000
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 7 10 1
12 6 11 1
13 11 12 2
14 11 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 16 19 1
22 19 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 24 27 1
31 10 28 3
|
|---|
